Geometry & MOs

Info

ID:

111636

PubChem CID:

50376010

Reduced:

F2O5N6C42H52 (1)

Stoich.:

A2B5C6D42E52 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-291.83

Dipole, Da:

3.13

IP(EA), eV:

 -8.96(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations